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License: GNU General Public License v3.0
The TheoDORE (Theoretical Density, Orbital Relaxation and Exciton analysis) package is a general purpose program suite for the analysis of excited states obtained from quantum chemical excited state calculations. Author: Felix Plasser Contributors: Ljiljana Stojanovic, Gunter Hermann, Sebastian Mai, Maximilian F.S.J. Menger TheoDORE is distributed under the GNU General Public License 3.0 (see LICENSE.txt). For more information, go to http://theodore-qc.sourceforge.net/. Please use the discussion forum at https://sourceforge.net/p/theodore-qc/discussion if you have any question. TheoDORE uses the cclib library (http://cclib.github.io) for some of its file parsing work. cclib is distributed under a BSD 3-Clause License, see cclib/LICENSE . Copyright (c) 2017, the cclib development team. cclib is contained as part of this distribution. Citation for cclib: N. M. O'Boyle, A. L. Tenderholt, K. M. Langner, J. Comput. Chem. (2008), 29, 839. TheoDORE uses Open Babel (http://openbabel.org/) for reading chemical structure files. Open Babel is distributed under a GPL license. Install Open Babel if you want to use this functionality. Citations for Open Babel: - N. M. O'Boyle, M. Banck, C. A. James, C. Morley, T. Vandermeersch, and G. R. Hutchison, J. Cheminf. (2011), 3, 33. - The Open Babel Package, version 2.3.1 http://openbabel.org TheoDORE uses ORBKIT (http://orbkit.github.io/) for visualization of orbitals and densities. ORBKIT is distributed under an LGPL license. Install orbkit if you want to use this functionality. Citation for ORBKIT: G. Hermann, V. Pohl, J. C. Tremblay, B. Paulus, H.-C. Hege, A. Schild, J. Comput. Chem. (2016), 37, 1511. --- THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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